Table 1.

Crystallographic statistics

	Native	Se-Met peak	Native
			Mn2+ high remote	Mn2+ low remote
Data collection
Wavelength, Å	0.9795	0.9793	1.8808	1.9051
Camera length, mm	200	220	120	120
Oscillation angle, deg	0.5	0.5	0.5	0.5
Exposure time, sec	8	2	20	20
Number of images	180	180	114	114
Resolution range, Å	60.0–2.9	50.0–3.2	50.0–3.5	50.0–3.5
Measured reflections	584147	361587	214259	208042
Unique reflections	21198	29761	23281	23108
Completeness, %*	99.8 (100)	99.6 (99.9)	99.9 (99.5)	99.9 (100)
Rsym, %*†	4.9 (27.9)	7.2 (29.1)	8.0 (26.6)	8.3 (19.3)
Phase statistics
Phasing power		2.17
Figure of merit		0.384
Model statistics
Number of amino acids	385
R factor, %‡	22.8
Rfree, %‡	25.9
r.m.s. deviation
Bond lengths, Å	0.008
Bond angles, deg	1.51

^*Values in parentheses are for the outermost resolution shell. 

^† R_sym = ∑_hkl∑_i|I_i(hkl)–〈I(hkl)〉|/∑_hkl∑_iI_i(hkl), where 〈I_hkl〉 is the mean intensity of multiple I_i(hkl) observations for symmetry-related reflections. 

^‡ R factor = ∑∥F_obs| − |F_calc∥/∑|F_obs|. R_free was calculated with 5% of the data.